6-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(4-methylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine

C44H33N — CID 121419333

About 6-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(4-methylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine

6-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(4-methylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine (PubChem CID 121419333) has the molecular formula C44H33N and a molecular weight of 575.76 g/mol. Its IUPAC name is 6-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(4-methylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine.

Molecular Properties

• Compound Name: 6-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(4-methylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine
• PubChem CID: 121419333
• Molecular Formula: C44H33N
• Molecular Weight: 575.76 g/mol
• Exact Mass: 575.26
• IUPAC Name: 6-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(4-methylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine
• SMILES: Cc1ccc(N(c2ccc3ccccc3c2)c2ccc3cc(-c4cc5c6c(ccc7cccc(c76)C5(C)C)c4)ccc3c2)cc1
• InChI: InChI=1S/C44H33N/c1-28-11-19-37(20-12-28)45(38-21-17-29-7-4-5-8-31(29)25-38)39-22-18-32-23-33(14-15-34(32)26-39)36-24-35-16-13-30-9-6-10-40-42(30)43(35)41(27-36)44(40,2)3/h4-27H,1-3H3
• InChIKey: YLGBBJBKMRMZMF-UHFFFAOYSA-N
• XLogP: 12.38
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.76
LogP ≤ 5	12.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(4-methylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine?

The IUPAC name of 6-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(4-methylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine (CID 121419333) is 6-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(4-methylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine.

What is the SMILES notation for 6-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(4-methylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine?

The canonical SMILES for 6-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(4-methylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine is Cc1ccc(N(c2ccc3ccccc3c2)c2ccc3cc(-c4cc5c6c(ccc7cccc(c76)C5(C)C)c4)ccc3c2)cc1.

What is the InChIKey of 6-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(4-methylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine?

The InChIKey is YLGBBJBKMRMZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33N/c1-28-11-19-37(20-12-28)45(38-21-17-29-7-4-5-8-31(29)25-38)39-22-18-32-23-33(14-15-34(32)26-39)36-24-35-16-13-30-9-6-10-40-42(30)43(35)41(27-36)44(40,2)3/h4-27H,1-3H3.

What are the key properties of 6-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(4-methylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine?

6-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(4-methylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine has a molecular weight of 575.76 g/mol, XLogP of 12.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(4-methylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine is sourced from PubChem (CID 121419333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).